CID 53404293

4-chloropyridine-2,5-diamine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
C1=C(C(=CN=C1N)N)Cl
InChI
InChI=1S/C5H6ClN3/c6-3-1-5(8)9-2-4(3)7/h1-2H,7H2,(H2,8,9)
InChIKey
IXBAKMAPGBYNOF-UHFFFAOYSA-N
Compound name
4-chloropyridine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.02502 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.03230 125.6
[M+Na]+ 166.01424 135.7
[M-H]- 142.01774 127.6
[M+NH4]+ 161.05884 146.0
[M+K]+ 181.98818 131.8
[M+H-H2O]+ 126.02228 120.3
[M+HCOO]- 188.02322 146.3
[M+CH3COO]- 202.03887 176.4
[M+Na-2H]- 163.99969 132.4
[M]+ 143.02447 123.7
[M]- 143.02557 123.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe